2-cyano-N-[2-(4-methoxy-3-propoxyphenyl)ethyl]acetamide

C15H20N2O3 — CID 22686514

IUPAC2-cyano-N-[2-(4-methoxy-3-propoxyphenyl)ethyl]acetamide
SMILESCCCOc1cc(CCNC(=O)CC#N)ccc1OC
InChIInChI=1S/C15H20N2O3/c1-3-10-20-14-11-12(4-5-13(14)19-2)7-9-17-15(18)6-8-16/h4-5,11H,3,6-7,9-10H2,1-2H3,(H,17,18)
InChIKeyFLBZPTCSGXNUCU-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.06
Rot. Bonds8

About 2-cyano-N-[2-(4-methoxy-3-propoxyphenyl)ethyl]acetamide

2-cyano-N-[2-(4-methoxy-3-propoxyphenyl)ethyl]acetamide (PubChem CID 22686514) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-cyano-N-[2-(4-methoxy-3-propoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(4-methoxy-3-propoxyphenyl)ethyl]acetamide
PubChem CID22686514
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-cyano-N-[2-(4-methoxy-3-propoxyphenyl)ethyl]acetamide
SMILESCCCOc1cc(CCNC(=O)CC#N)ccc1OC
InChIInChI=1S/C15H20N2O3/c1-3-10-20-14-11-12(4-5-13(14)19-2)7-9-17-15(18)6-8-16/h4-5,11H,3,6-7,9-10H2,1-2H3,(H,17,18)
InChIKeyFLBZPTCSGXNUCU-UHFFFAOYSA-N
XLogP2.06
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]acetamide
CID 22679906
2-cyano-N-[2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethyl]acetamide
CID 20991177
2-cyano-N-[2-[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]ethyl]acetamide
CID 20987479
2-cyano-N-[2-[3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 20984674
2-cyano-N-[2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide
CID 20986864
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-cyanoacetamide
CID 115173251
N-[2-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide
CID 22686252
2-cyano-N-[2-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 22687178
N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-2-phenylacetamide
CID 141386663
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 24685903
2-cyano-N-[2-(3-methoxy-2-propoxyphenyl)ethyl]acetamide
CID 22686324
2-cyano-N-[[4-methoxy-3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20990609

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(4-methoxy-3-propoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-cyano-N-[2-(4-methoxy-3-propoxyphenyl)ethyl]acetamide (CID 22686514) is 2-cyano-N-[2-(4-methoxy-3-propoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-(4-methoxy-3-propoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-(4-methoxy-3-propoxyphenyl)ethyl]acetamide is CCCOc1cc(CCNC(=O)CC#N)ccc1OC.
What is the InChIKey of 2-cyano-N-[2-(4-methoxy-3-propoxyphenyl)ethyl]acetamide?
The InChIKey is FLBZPTCSGXNUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-10-20-14-11-12(4-5-13(14)19-2)7-9-17-15(18)6-8-16/h4-5,11H,3,6-7,9-10H2,1-2H3,(H,17,18).
What are the key properties of 2-cyano-N-[2-(4-methoxy-3-propoxyphenyl)ethyl]acetamide?
2-cyano-N-[2-(4-methoxy-3-propoxyphenyl)ethyl]acetamide has a molecular weight of 276.34 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(4-methoxy-3-propoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 22686514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).